SCHEMBL7965169

SCHEMBL7965169

O[C@@H](COc1ccc2[nH]ccc2c1)CN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
HTR1A P08908 1/20 0.45
KDM4E B2RXH2 2/20 0.45
KCNH2 Q12809 2/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
ABCB1 P08183 7/20 0.41
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7953575 1.00 ADRB2 (0.50) ADRB2ADRB1ADRB3SMN1; SMN2PRMT5
SCHEMBL27193282 0.89 SMN1; SMN2 (0.57) SMN1; SMN2PRMT5WDR77KDM4EMAPT
SCHEMBL7200720 0.89 SMN1; SMN2 (0.57) SMN1; SMN2PRMT5WDR77KDM4EMAPT
SCHEMBL7962982 0.86 SMN1; SMN2 (0.49) SMN1; SMN2PRMT5WDR77KDM4EMAPT
SCHEMBL7966189 0.86 LTA4H (0.50) HTR1A
SCHEMBL7969553 0.85 L3MBTL1 (0.55) SMN1; SMN2PRMT5WDR77HTR1AKDM4E
SCHEMBL7953581 0.84 DRD2 (0.42) ADRB2ADRB1ADRB3HTR1A
SCHEMBL7969477 0.84 MAPT (0.50) SMN1; SMN2PRMT5WDR77KDM4EMAPT
SCHEMBL7953370 0.83 HTR1A (0.56) ADRB2ADRB1ADRB3HTR1A
SCHEMBL7953568 0.83 LTA4H (0.41) ADRB2ADRB1ADRB3PRMT5WDR77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed